- InChI
- InChI=1S/C26H44N2O3Si/c1-17(27-29-4)21-11-12-22-20-10-9-18-15-19(31-32(6,7)8)13-14-25(18,2)24(20)23(28-30-5)16-26(21,22)3/h15,19-22,24H,9-14,16H2,1-8H3/t19-,20?,21+,22?,24?,25-,26+/m1/s1
- InChI Key
- ZRSFJLPCGOXQFX-KDNZTQFNSA-N
- Formula
- C26H44N2O3Si
- SMILES
-
CON=C1CC2(C)C(C(C)=NOC)CCC2C2C
CC3=CC(O[Si](C)(C)C)CCC3(C)C12 - Molecular Weight1
- 460.72
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7127 | Relay (1.0) Calculated Property | |
| ΔfG° | 260.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -445.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.420 | Crippen Calculated Property | |
| Pc | 252.53 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2837.00 | NIST | |
| Tboil | 673.16 | K | Relay (1.0) Calculated Property |
| Tc | 942.28 | K | Relay (1.0) Calculated Property |
| Tfus | 373.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.374 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pregnen-3-«beta»-ol-11,20-dione, MO-TMS.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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